[
  {
    "molid": "mol15489",
    "smiles": "CN(C)Cc1cc(C(=O)c2ccccc2)ccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[NH+](C)Cc1cc(C(=O)c2ccccc2)ccc1[O-]",
        "std_free_energy": -5.649847030639648,
        "relative_population": 0.9092230785256629
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CN(C)Cc1cc(C(=O)c2ccccc2)ccc1O",
        "std_free_energy": -3.3456616401672363,
        "relative_population": 0.09077692147433711
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)Cc1cc(C(=O)c2ccccc2)ccc1[O-]",
        "std_free_energy": 2.3690857887268066,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.23,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 9.67,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]